Reduced order modeling and dynamic optimization of multiscale PDE/kMC process systems

Amit Varshney, Antonios Armaou

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

Abstract

The problem of dynamic optimization for multiscale systems comprising of coupled continuum and discrete descriptions is considered. The solution of such problems is challenging owing to large computational requirements of the multiscale process model. This problem is addressed by developing a reduced multiscale model. This is achieved by combining order reduction techniques for dissipative partial-differential equations with adaptive tabulation of microscopic simulation data. The multiscale process optimization problem is subsequently solved using standard search algorithms. The proposed method is applied to two representative catalytic oxidation processes where optimal inlet concentration profiles are computed to guide the microscopic system from one stable stationary state to another stable stationary state.

Original languageEnglish (US)
Pages (from-to)2136-2143
Number of pages8
JournalComputers and Chemical Engineering
Volume32
Issue number9
DOIs
StatePublished - Sep 26 2008

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Computer Science Applications

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