An efficient chemical systems modelling approach

K. Y. Wang, D. E. Shallcross, P. Hadjinicolaou, C. Giannakopoulos

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

Systems of stiff chemical reactions are often associated with atmospheric chemistry modelling, which plays a very important role in the studies of stratospheric ozone depletion, tropospheric air pollution problems, and future chemistry-climate feedbacks and interactions. This paper revisits an open-source stiff system solver SVODE and presents its efficient use in modelling different levels of complexity of a range of chemical systems. The chemical systems discussed here are the Lotka-Volterra (predator-prey) model, the Brusselator model, the Oregonator model, and the Lorenz model. The first two models consist of two variables, while the remaining two models consist of three variables. Finally, an application of this modelling approach to a generalised organic/NOx mechanism for characterising air pollution development is presented. Since the SVODE is an open-source code, and the simulations were run on a Linux PC (with g77 compiler), all results discussed in this paper can be easily reproduced. Most importantly, the approach shown here can be readily extended to other larger scale applications such as the three-dimensional air pollution modelling.

Original languageEnglish
Pages (from-to)731-745
Number of pages15
JournalEnvironmental Modelling and Software
Volume17
Issue number8
DOIs
StatePublished - 2002

Keywords

  • Air Pollution
  • Brusselator
  • Lorenz Model
  • Lotka-Volterra
  • Oregonator
  • SVODE

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