Effects of ozone isotopologue formation on the clumped-isotope
composition of atmospheric O2
Abstract
Tropospheric 18O18O is an emerging proxy for past tropospheric ozone and
free-tropospheric temperatures. The basis of these applications is the
idea that isotope-exchange reactions in the atmosphere drive 18O18O
abundances toward isotopic equilibrium. However, previous work used an
offline box-model framework to explain the 18O18O budget, approximating
the interplay of atmospheric chemistry and transport. This approach,
while convenient, has poorly characterized uncertainties. To investigate
these uncertainties, and to broaden the applicability of the 18O18O
proxy, we developed a scheme to simulate atmospheric 18O18O abundances
(quantified as ∆36 values) online within the GEOS-Chem chemical
transport model. These results are compared to both new and previously
published atmospheric observations from the surface to 33 km.
Simulations using a simplified O2 isotopic equilibration scheme within
GEOS-Chem show quantitative agreement with measurements only in the
middle stratosphere; modeled ∆36 values are too high elsewhere.
Investigations using a comprehensive model of the O-O2-O3 isotopic
photochemical system and proof-of-principle experiments suggest that the
simple equilibration scheme omits an important pressure dependence to
∆36 values: the anomalously efficient titration of 18O18O to form ozone.
Incorporating these effects into the online ∆36 calculation scheme in
GEOS-Chem yields quantitative agreement for all available observations.
While this previously unidentified bias affects the atmospheric budget
of 18O18O in O2, the modeled change in the mean tropospheric ∆36 value
since 1850 C.E. is only slightly altered; it is still quantitatively
consistent with the ice-core ∆36 record, implying that the tropospheric
ozone burden increased less than ~40% over the
twentieth century.