TY - JOUR
T1 - Reaction Kinetics of OH + HNO3 under conditions relevant to the Upper Troposphere/Lower Stratosphere
AU - Winiberg, Frank A. F.
AU - Percival, Carl J.
AU - Shannon, Robin
AU - Khan, Anwar
AU - Shallcross, Dudley
AU - Liu, Yingdi
AU - Sander, Stanley P.
PY - 2018/10/14
Y1 - 2018/10/14
N2 - The OH initiated oxidation of HNO3 in the UT/LS plays an important role in controlling the O3 budget, removing HOx radicals whilst driving NOx/y partitioning chemistry by yielding NO3 radicals: OH + HNO3 → H2O + NO3. In this paper, k1(T, P)
was measured using OH (A ← X) Laser Induced Fluorescence (LIF) and the
data was modelled over the 223–298 K temperature and 25–750 Torr
pressure ranges, using the modified Lindemann–Hinshelwood expression, k1=k0+(k3[M])/(1+(k3[M]/k2)) where k0 = 5.2 × 10−14 exp(200/T) cm3 s−1, k2 = 8.4 × 10−17 exp(1900/T) cm3 s−1 and k3 = 1.6 × 10−34 exp(1745/T) cm3 s−1. A significant source of experimental uncertainty derives from accurate determination of HNO3 concentration, which is impacted by heterogeneous uptake of the low volatility HNO3 onto cold surfaces of the reactors. Our results represent the determination of k1(T, P) using two different in situ [HNO3]
measurements: VUV absorption and a new two photon Photolysis Induced
Fluoresence (PIF). Experimental results are discussed along with a
computational master equation calculation (MESMER), which highlight the
need for further theoretical study into the OH + HNO3
mechanism and potential energy surface. The atmospheric impact of these
new rate constants were modelled using the STOCHEM-CRI chemistry
transport global model, which have shown a small reduction in global
budgets of key atmospheric species, with more significant changes in the
NOx/HNO3 ratio, peaking in the tropical upper troposphere regions.
AB - The OH initiated oxidation of HNO3 in the UT/LS plays an important role in controlling the O3 budget, removing HOx radicals whilst driving NOx/y partitioning chemistry by yielding NO3 radicals: OH + HNO3 → H2O + NO3. In this paper, k1(T, P)
was measured using OH (A ← X) Laser Induced Fluorescence (LIF) and the
data was modelled over the 223–298 K temperature and 25–750 Torr
pressure ranges, using the modified Lindemann–Hinshelwood expression, k1=k0+(k3[M])/(1+(k3[M]/k2)) where k0 = 5.2 × 10−14 exp(200/T) cm3 s−1, k2 = 8.4 × 10−17 exp(1900/T) cm3 s−1 and k3 = 1.6 × 10−34 exp(1745/T) cm3 s−1. A significant source of experimental uncertainty derives from accurate determination of HNO3 concentration, which is impacted by heterogeneous uptake of the low volatility HNO3 onto cold surfaces of the reactors. Our results represent the determination of k1(T, P) using two different in situ [HNO3]
measurements: VUV absorption and a new two photon Photolysis Induced
Fluoresence (PIF). Experimental results are discussed along with a
computational master equation calculation (MESMER), which highlight the
need for further theoretical study into the OH + HNO3
mechanism and potential energy surface. The atmospheric impact of these
new rate constants were modelled using the STOCHEM-CRI chemistry
transport global model, which have shown a small reduction in global
budgets of key atmospheric species, with more significant changes in the
NOx/HNO3 ratio, peaking in the tropical upper troposphere regions.
U2 - 10.1039/C8CP04193H
DO - 10.1039/C8CP04193H
M3 - Article (Academic Journal)
SN - 1463-9076
VL - 20
SP - 24652
EP - 24664
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
ER -