Text S6. Overall uncertainty estimations
As discussed previously, it is assumed that the overall uncertainties of
our simulation were determined by errors in p0(or KH ) estimations and the discrepancies in the
activity estimation methods (assuming that the true value lies in the
middle of the two methods), and the two sources were independent from
each other. The uncertainties in the temperature dependence ofKH were not considered in our error estimations
due to the large variability in the data in the literature. Instead, the
values suggested by Linstrom and Mallard5 were used as
the default values for the temperature dependence ofKH .
The overall uncertainty for the Tc value of each
amine was therefore the square root of the square sum of the two
independent sources (summarized in Table S1). It is worth noting that
typically the uncertainty of the upper boundary for theTc value is larger than that of the lower
boundary. This is particularly pronounced in DEA and may bring itsTc value up to the 280 K range. While the
uncertainty analysis presented in Table S2 could move some of the amines
from Group I to Group II, it doesn’t change our conclusion that amines
may contribute significantly to nitric acid condensations in the
presence of high ammonia concentration, especially at higher temperature
where ammonia and nitric acid are not likely to condense.