Modeling of a batch process based upon safety constraints

Michiel E. van Wissen, Adam L. Turk, Costin S. Bildea, Zofia Verwater-Lukszo

Research output: Contribution to journalArticlepeer-review


Simulation and optimization are key tools for improving the operations of a chemical process. Unfortunately, the results from these tools are only a good as the accuracy and appropriateness of the process model. This paper presents a model of a polymer batch process that has been modified to include safety constraints. These safety constraints are based upon reactor being able to contain an explosion. Based upon this idea, runaway behavior and cooler limitations are incorporated in the process model since they determine the possibility of an explosion. Neither modeling task was simple to include since they relied upon conditional statements, generation of multiple scenarios, and computational complexity from nonlinear equations such as log mean temperature difference. The optimization of the process model with respect to runaway behavior required the analysis of multiple scenarios or parallel simulations for example. These multiple scenarios would describe the effect of runaway reactions at different times from the basic process profile. In the end, the simulation of the process model ran satisfactory and work on the optimization of the model is in process.

Original languageEnglish
Pages (from-to)971-976
Number of pages6
JournalComputer Aided Chemical Engineering
Issue numberC
Publication statusPublished - Dec 1 2003

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Computer Science Applications

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