Atmospheric Chemistry

Quantitative modeling of atmospheric and combustion processes require accurate rate coefficients the underlying chemical reactions. Computational chemistry is playing an increasingly important role in evaluating accurate rate coefficients for chemical reactions of importance in atmospheric, combustion, and astrophysical models. We have been interested in chemical reactions related to hydroxyl (OH) and nitric oxide (NO) formation in the mesosphere and lower thermosphere. Since OH and NO are two key radiating species at these altitudes, quantitative prediction of their formation and destruction rate is important in accurately characterizing the energetics, chemical structure, and thermal balance of the earth's atmosphere. We have been specifically interested in the rovibrational level populations of NO in N+O2 reaction and the reaction between atomic oxygen and OH in different vibrational levels. These studies have been supported by National Science Foundation. Recent publications related to these studies are listed here.

Selected Publications


Figure 1. Rate coefficients of the O+OH (v = 0, j = 0) → H+O2 reaction as functions of the temperature. The present work shows that the rate coefficient remains largely independent of the temperature in the range T = 10 - 100K. Link to paper.

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