Programming Examples

  • Dieter Britz
Part of the Lecture Notes in Chemistry book series (LNC, volume 23)


For better or for worse, this chapter presents some examples of digital simulation programs. It is the hope of the author that these will often, better than a lot of words of explanation, make certain things clear to the beginner and perhaps explain some things that were left unsaid in the preceding chapters. It is also hoped that the actual choice of examples is sufficiently wide so that the mark will not be missed too widely for most readers. Lest there be any doubt in the reader’s mind, let it be said that the intention is not to present new solutions to problems — most of the examples have analytical (or semi — analytical) solutions and most are similar to programs routinely used (in perhaps different form) in many parts of the world. The dme program, taking sphericity into account, may be an exception — although Feldberg1 has recently published a box-style solution for this, we present here our preferred point-method solution. Given the point method, this is quite straight-forward and poses no real problems. The last example (steady-state) is also, to my knowledge, something new and promising but the example itself is trivial.


Digital Simulation Preceding Chapter Frumkin Isotherm Henry Isotherm Ilkovic Equation 
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Copyright information

© Springer-Verlag Berlin Heidelberg 1981

Authors and Affiliations

  • Dieter Britz
    • 1
  1. 1.Department of ChemistryAarhus UniversityAarhus CDenmark

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