Kinetics of the HO2 + NO reaction: A temperature and pressure dependence study using chemical ionisation mass spectrometry
Literature Information
Max W. Bardwell, Asan Bacak, M. Teresa Raventos, Carl J. Percival, Gabriela Sanchez-Reyna, Dudley E. Shallcross
The overall rate coefficient (k2) for the reaction HO2 + NO (2) has been measured using the turbulent flow technique with chemical ionisation mass spectrometry (CIMS) for the detection of reactants and products. The temperature dependence of the rate coefficient was investigated between 183 and 300 K. Across the temperature range the experimentally determined rate coefficients showed good agreement with previous studies and were fitted using an Arrhenius type analysis to yield the expression k2 = (3.98+0.29−0.27) × 10−12 exp [(223 ± 16.5)/T] cm3 molecules−1 s−1. Experiments were carried out in the pressure range of 75 to 220 Torr within the stated temperature range, where the rate coefficients were shown to be invariant with pressure. Such invariance with pressure is in accord with recent theoretical calculations. This work represents an extension to the range of temperature and pressure over which the rate coefficient has been studied. A model of the troposphere has been used to assess the impact of the experimental error of the rate coefficients determined in this study on predicted concentrations of a number of key species, including O3, OH, HO2, NO and NO2. In all cases it is found that the propagated error is rather small and will not in itself be a major cause of uncertainty in modelled concentrations.
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.













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