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util.affinity

## Don't show: data(thermo)
thermo$obigt: 1809 aqueous, 3368 total species
## End(Don't show) basis("CHNOS")
C H N O S ispecies logact state CO2 1 0 0 2 0 69 -3 aq H2O 0 2 0 1 0 1 0 liq NH3 0 3 1 0 0 68 -4 aq H2S 0 2 0 0 1 70 -7 aq O2 0 0 0 2 0 3095 -80 gas
species("acetic acid")
CO2 H2O NH3 H2S O2 ispecies logact state name 1 2 2 0 0 -2 515 -3 aq acetic acid
eargs <- energy.args(list(O2=c(-90, -60, 5), T=c(0, 100, 5)))
energy.args: pressure is Psat energy.args: variable 1 is log_f(O2) at 5 values from -90 to -60 energy.args: variable 2 is T at 5 values from 273.15 to 373.15 K
ea <- do.call(energy, eargs)
subcrt: 6 species at 5 values of T and P (wet)


next up previous
Next: equil.boltzmann Up: CHNOSZ examples Previous: [3] affinity