Aarhus University Seal

Efficient implementation of advanced Richardson Extrapolation in an atmospheric chemical scheme

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  • Zahari Zlatev
  • Ivan Dimov, Bulgarian Academy of Sciences
  • ,
  • István Faragó, Budapest University of Technology and Economics
  • ,
  • Krassimir Georgiev, Bulgarian Academy of Sciences
  • ,
  • Ágnes Havasi, Eotvos Lorand University

The numerical treatment of an atmospheric chemical scheme, which contains 56 species, is discussed in this paper. This scheme is often used in studies of air pollution levels in different domains, as, for example, in Europe, by large-scale environmental models containing additionally two other important physical processes—transport of pollutants in the atmosphere (advection) and diffusion phenomena. We shall concentrate our attention on the efficient numerical treatment of the chemical scheme by using Implicit Runge–Kutta Methods combined with accurate and efficient advanced versions of the Richardson Extrapolation. A Variable Stepsize Variable Formula Method is developed in order to achieve high accuracy of the calculated results within a reasonable computational time. Reliable estimations of the computational errors when the proposed numerical methods are used in the treatment of the chemical scheme will be demonstrated by presenting results from several representative runs and comparing these results with “exact” concentrations obtained by applying a very small stepsize during the computations. Results related to the diurnal variations of some of the chemical species will also be presented. The approach used in this paper does not depend on the particular chemical scheme and can easily be applied when other atmospheric chemical schemes are selected.

Original languageEnglish
JournalJournal of Mathematical Chemistry
Pages (from-to)219-238
Number of pages20
Publication statusPublished - Jan 2022

Bibliographical note

Publisher Copyright:
© 2021, The Author(s).

    Research areas

  • Atmospheric chemical schemes, Implicit Runge–Kutta methods, Ordinary differential equations, Richardson Extrapolation

See relations at Aarhus University Citationformats

ID: 269208685