Difference between revisions of "UKCA & UMUI Tutorial 8"
From UKCA
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H_{eff} = k\left(298\right) \exp \left(-\frac{\Delta H}{R}\left[\left(\frac{1}{T}\right) - \left(\frac{1}{298}\right)\right]\right) |
H_{eff} = k\left(298\right) \exp \left(-\frac{\Delta H}{R}\left[\left(\frac{1}{T}\right) - \left(\frac{1}{298}\right)\right]\right) |
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</math> |
</math> |
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+ | |||
+ | where <math>k\left(298\right)</math> is the rate constant at 298K. |
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'''References''' |
'''References''' |
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# Giannakopoulos, C., M. P. Chipperfield, K. S. Law, and J. A. Pyle (1999), Validation and intercomparison of wet and dry deposition schemes using 210Pb in a global three-dimensional off-line chemical transport model, J. Geophys. Res., 104(D19), 23761–23784, doi:10.1029/1999JD900392. |
# Giannakopoulos, C., M. P. Chipperfield, K. S. Law, and J. A. Pyle (1999), Validation and intercomparison of wet and dry deposition schemes using 210Pb in a global three-dimensional off-line chemical transport model, J. Geophys. Res., 104(D19), 23761–23784, doi:10.1029/1999JD900392. |
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+ | ==Henry's Law Specification Definition== |
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+ | |||
+ | In the '''ukca_chem_<span style="color:blue">scheme</span>.F90''' the parameters required to calculate <math>H_{eff}</math> are held in the '''henry_defs_<span style="color:blue">scheme</span>''' array, and has format |
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+ | |||
+ | {| border="1" |
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+ | | <math>k(298)</math> || <math>-{\Delta H}/R</math> || <math>k(298)</math> for the 1st dissociatation || <math>-{\Delta H}/R</math> for the 1st dissociatation || <math>k(298)</math> for the 2nd dissociatation || <math>-{\Delta H}/R</math> for the 2nd dissociatation |
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+ | |} |
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! The following formula is used to calculate the effective Henry's Law coef, |
! The following formula is used to calculate the effective Henry's Law coef, |
Revision as of 16:28, 24 June 2013
Adding Wet Deposition
The formulationn used in UKCA is described in Giannakopoulos (1999)[1]. This scheme uses the following formula to calculate the effective Henry's Law coefficient
where is the rate constant at 298K.
References
- Giannakopoulos, C., M. P. Chipperfield, K. S. Law, and J. A. Pyle (1999), Validation and intercomparison of wet and dry deposition schemes using 210Pb in a global three-dimensional off-line chemical transport model, J. Geophys. Res., 104(D19), 23761–23784, doi:10.1029/1999JD900392.
Henry's Law Specification Definition
In the ukca_chem_scheme.F90 the parameters required to calculate are held in the henry_defs_scheme array, and has format
for the 1st dissociatation | for the 1st dissociatation | for the 2nd dissociatation | for the 2nd dissociatation |
! The following formula is used to calculate the effective Henry's Law coef, ! which takes the affects of dissociation and complex formation on a species' ! solubility (see Giannakopoulos, 1998) ! ! H(eff) = K(298)exp{[-deltaH/R]x[(1/T)-(1/298)]} ! ! The data in columns 1 and 2 above give the data for this gas-aqueous transfer, ! Column 1 = K(298) [M/atm] ! Column 2 = -deltaH/R [K-1] ! ! If the species dissociates in the aqueous phase the above term is multiplied by ! another factor of 1+{K(aq)/[H+]}, where ! K(aq) = K(298)exp{[-deltaH/R]x[(1/T)-(1/298)]} ! The data in columns 3 and 4 give the data for this aqueous-phase dissociation, ! Column 3 = K(298) [M] ! Column 4 = -deltaH/R [K-1] ! The data in columns 5 and 6 give the data for a second dissociation, ! e.g for SO2, HSO3^{-}, and SO3^{2-} ! Column 5 = K(298) [M] ! Column 6 = -deltaH/R [K-1]
Written by Luke Abraham 2013